Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 82 | |
|---|---|---|
| Name: | 1,2,3-trichloropropane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 96-18-4 | |
| InChi Code: | InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.33 |
experimental value |
| 0.41 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021390 | US EPA CompTox Dashboard |